3-Mercapto-3-methylbutyl formate (ester)
- Formula: C6H12O2S
- Molecular weight: 148.223
- IUPAC Standard InChI: InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3
- IUPAC Standard InChIKey: VTAPYUYITKYXJB-UHFFFAOYSA-N
- CAS Registry Number: 50746-10-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 3-Mercapto-3-methylbutyl formate; Formic acid 3-mercapto-3-methyl-butyl ester
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, custom temperature program
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary |
|---|---|
| Active phase | DB-5 |
| Column length (m) | 30. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.53 |
| Phase thickness (μm) | 1.5 |
| Program | -5C(1min) => 4C/min => 50C => 6C/min => 120C => 8C/min => 250C(2min) |
| I | 1027. |
| Reference | Bücking and Steinhart, 2002 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bücking and Steinhart, 2002
Bücking, M.; Steinhart, H.,
Headspace GC and sensory analysis characterization of the influence of different milk additives on the flavor release of coffee beverages,
J. Agric. Food Chem., 2002, 50, 6, 1529-1534, https://doi.org/10.1021/jf011117p
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.